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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02553017

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NLGN-ACETYL-L-GLUTAMATEA1OH90.72
NLGN-ACETYL-L-GLUTAMATEA1OHA0.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.72
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.72
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.72
NLGN-ACETYL-L-GLUTAMATEA3B8G0.72
NLGN-ACETYL-L-GLUTAMATEA1GS50.72
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.72
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.8
AN0N-ACETYL-L-NORVALINEA1ZQ80.8
SYS3-[(2-amino-2-oxoethyl)selanyl]-
L-alanine
A,B,C,D3BOG0.71
DSEN-METHYL-D-SERINEC1CWH0.72
IPGN-ISOPROPYL GLYCINEC,D2SEM0.87
CMSCARBAMOYL SARCOSINEA,B1CHM0.7
MVAN-METHYLVALINEA209D0.72
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.72
MVAN-METHYLVALINEC1CWH0.72
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.72
MVAN-METHYLVALINEA1DSD0.72
MVAN-METHYLVALINEB1L1V0.72
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.72
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.72
MVAN-METHYLVALINEC1CWO0.72
MVAN-METHYLVALINEC1CWL0.72
MVAN-METHYLVALINEB1MIK0.72
MVAN-METHYLVALINEA1CSA0.72
MVAN-METHYLVALINEC1CWM0.72
MVAN-METHYLVALINEA1PFE0.72
MVAN-METHYLVALINEA,B,D,E,F,H1M630.72
MVAN-METHYLVALINEC1CWC0.72
MVAN-METHYLVALINEB,D,F,H2RMC0.72
MVAN-METHYLVALINEC1CWK0.72
MVAN-METHYLVALINEC1CYN0.72
MVAN-METHYLVALINEC,D1MNV0.72
MVAN-METHYLVALINEC,D2OJU0.72
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.72
MVAN-METHYLVALINEA1CYB0.72
MVAN-METHYLVALINED1QNG0.72
MVAN-METHYLVALINEA,C,E,G2ADW0.72
MVAN-METHYLVALINEC1CWB0.72
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.72
MVAN-METHYLVALINEA,B1OVF0.72
MVAN-METHYLVALINEA,B185D0.72
MVAN-METHYLVALINEA1XVK0.72
MVAN-METHYLVALINEA,C1XVR0.72
MVAN-METHYLVALINEA,B173D0.72
MVAN-METHYLVALINEA,B1FJA0.72
MVAN-METHYLVALINEB3CYS0.72
MVAN-METHYLVALINEA,B,C1A7Y0.72
MVAN-METHYLVALINEA,B,C1L5G0.72
MVAN-METHYLVALINEA,B,C,D1I3W0.72
MVAN-METHYLVALINEA316D0.72
MVAN-METHYLVALINEA1XVN0.72
MVAN-METHYLVALINEC1IKF0.72
MVAN-METHYLVALINEA,M,N2Z6W0.72
MVAN-METHYLVALINEA,B,C1QFI0.72
MVAN-METHYLVALINEA,B3GO30.72
MVAN-METHYLVALINEC1CWA0.72
MVAN-METHYLVALINEC1CWF0.72
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.72
MVAN-METHYLVALINED,E,F1XQ70.72
MVAN-METHYLVALINEA1CYA0.72
MVAN-METHYLVALINEA,B,D1MF80.72
MVAN-METHYLVALINEA,B1A7Z0.72
MVAN-METHYLVALINEA1DSC0.72
MVAN-METHYLVALINET,U,V2POY0.72
MVAN-METHYLVALINEA2D550.72
MVAN-METHYLVALINEC1BCK0.72
MVAN-METHYLVALINEC1CWI0.72
MVAN-METHYLVALINEC,D1QNH0.72
MVAN-METHYLVALINEA1VS20.72
AYAN-ACETYLALANINEA1D0W0.91
AYAN-ACETYLALANINEA1AH40.91
AYAN-ACETYLALANINEA,B1VBP0.91
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.91
AYAN-ACETYLALANINEA,B,C,D1OUW0.91
AYAN-ACETYLALANINEA1AH30.91
AYAN-ACETYLALANINEA1EKO0.91
AYAN-ACETYLALANINEB,D,F,H2V4I0.91
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.91
AYAN-ACETYLALANINEA,B,C,D1J4U0.91
NMCN-CYCLOPROPYLMETHYL GLYCINEC,D3SEM0.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.72
AACACETYLAMINO-ACETIC ACIDA,B1NG30.87
AACACETYLAMINO-ACETIC ACIDA1QD80.87
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.73
THCN-METHYLCARBONYLTHREONINEB2HR00.73
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.73
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.73
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.74
AMEN-ACETYLMETHIONINEA,B2J4Y0.74
OGAN-OXALYOLGLYCINEA,B,C,D2OQ60.85
OGAN-OXALYOLGLYCINEA2RDS0.85
OGAN-OXALYOLGLYCINEA1H2M0.85
OGAN-OXALYOLGLYCINEA2QRL0.85
OGAN-OXALYOLGLYCINEA,B,C,D2OX00.85
OGAN-OXALYOLGLYCINEA2RDR0.85
OGAN-OXALYOLGLYCINEA,B,C,D2OS20.85
OGAN-OXALYOLGLYCINEA,B,I,J2PXJ0.85
OGAN-OXALYOLGLYCINEA,B,F,G2Q8E0.85
OGAN-OXALYOLGLYCINEA,B,I,J2P5B0.85
OGAN-OXALYOLGLYCINEA1H2K0.85
OGAN-OXALYOLGLYCINEA,B,C,D2OT70.85
OGAN-OXALYOLGLYCINEA,B2OQ70.85
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.8
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.8
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.8
SACN-ACETYL-SERINEA1R4U0.8
SACN-ACETYL-SERINEA,B,C,D1WS30.8
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.8
SACN-ACETYL-SERINEA,B1EVU0.8
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.8
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.8
SACN-ACETYL-SERINEA1WRR0.8
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.8
SACN-ACETYL-SERINEA,B3CVQ0.8
SACN-ACETYL-SERINEA1B0B0.8
SACN-ACETYL-SERINEA1XT40.8
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.8
SACN-ACETYL-SERINEA2FXL0.8
SACN-ACETYL-SERINEA1R4S0.8
SACN-ACETYL-SERINEA,B,C,D1WS20.8
SACN-ACETYL-SERINEA,B,C,D2AUC0.8
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.8
SACN-ACETYL-SERINEA1R510.8
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.8
SACN-ACETYL-SERINEA,B,C,D1XXJ0.8
SACN-ACETYL-SERINET2QAC0.8
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.8
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.71
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.8
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.72
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.81
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.81
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.81
MHA(CARBAMOYLMETHYL-CARBOXYMETHYL-
AMINO)-ACETIC ACID
A,B2IXX0.7
MHA(CARBAMOYLMETHYL-CARBOXYMETHYL-
AMINO)-ACETIC ACID
A,B1IX10.7
HION-HYDROXY-N-ISOPROPYLOXAMIC ACIDI,J,K,L1YVE0.82
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.74
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.8
NXAN-CARBOXYALANINEA2IUX0.82
NXAN-CARBOXYALANINEA1O8A0.82
SARSARCOSINEA,B173D0.71
SARSARCOSINEA,B1FJA0.71
SARSARCOSINEB3CYS0.71
SARSARCOSINEA,B,C1A7Y0.71
SARSARCOSINEA,B,C,D1I3W0.71
SARSARCOSINEA316D0.71
SARSARCOSINEC1IKF0.71
SARSARCOSINEA,M,N2Z6W0.71
SARSARCOSINEA,B,C1QFI0.71
SARSARCOSINEC1CWA0.71
SARSARCOSINEC1CWF0.71
SARSARCOSINEB,D,F,H,J,L,
N,P
1C5F0.71
SARSARCOSINEC1CWO0.71
SARSARCOSINED,E,F1XQ70.71
SARSARCOSINEC1CWL0.71
SARSARCOSINEA1CYA0.71
SARSARCOSINEA,B,D1MF80.71
SARSARCOSINEA,B1A7Z0.71
SARSARCOSINEB1MIK0.71
SARSARCOSINEA1CSA0.71
SARSARCOSINEC1CWM0.71
SARSARCOSINEA1DSC0.71
SARSARCOSINET,U,V2POY0.71
SARSARCOSINEA2D550.71
SARSARCOSINEC1BCK0.71
SARSARCOSINEA,B,D,E,F,H1M630.71
SARSARCOSINEC1CWC0.71
SARSARCOSINEC,D1QNH0.71
SARSARCOSINEB,D,F,H2RMC0.71
SARSARCOSINEC1CYN0.71
SARSARCOSINEC,D1MNV0.71
SARSARCOSINEC,D2OJU0.71
SARSARCOSINEB,D,F,H,J,L,
N,P,R,T
2RMA0.71
SARSARCOSINEA1CYB0.71
SARSARCOSINED1QNG0.71
SARSARCOSINEC1CWB0.71
SARSARCOSINEA,B,C,D,E,F1UNM0.71
SARSARCOSINEA,B1OVF0.71
SARSARCOSINEA209D0.71
SARSARCOSINEA,B,C,D,E,F,
G,H
3BO70.71
SARSARCOSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.71
SARSARCOSINEA1DSD0.71
SARSARCOSINEB1L1V0.71
SARSARCOSINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.71
SARSARCOSINEB,D,F,H,J,L,
N,P,R,T
2RMB0.71
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.72
NCYN-METHYLCYSTEINEA1VS20.72
NCYN-METHYLCYSTEINEA1PFE0.72
NCYN-METHYLCYSTEINEA,B2DA80.72
NCYN-METHYLCYSTEINEC,D193D0.72
NCYN-METHYLCYSTEINEA1XVN0.72
NCYN-METHYLCYSTEINEA,B185D0.72
NCYN-METHYLCYSTEINEA1XVK0.72
NCYN-METHYLCYSTEINEA,C1XVR0.72
MAAN-METHYLALANINEA,B1A7Z0.81
MAAN-METHYLALANINEA,B2VSL0.81
MAAN-METHYLALANINEC1CWI0.81
MAAN-METHYLALANINEC,F,G,H3DW80.81
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.81
MAAN-METHYLALANINED1D5X0.81
MAAN-METHYLALANINEC1PYW0.81
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.81
MAAN-METHYLALANINEC,I2IE30.81
MAAN-METHYLALANINEC,F,X,Y2NPP0.81